CID 10422234

146552-72-9

Structural Information

Molecular Formula
C14H22N2O2
SMILES
CC(C)(C)OC(=O)N[C@@H](CC1=CC=CC=C1)CN
InChI
InChI=1S/C14H22N2O2/c1-14(2,3)18-13(17)16-12(10-15)9-11-7-5-4-6-8-11/h4-8,12H,9-10,15H2,1-3H3,(H,16,17)/t12-/m0/s1
InChIKey
LHZRJEOMDFKIJM-LBPRGKRZSA-N
Compound name
tert-butyl N-[(2S)-1-amino-3-phenylpropan-2-yl]carbamate
Related CIDs

2D Structure

compound 2d structure
1
Annotation Hits

1
References

121
Patents

250.16812 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 251.17540 161.6
[M+Na]+ 273.15734 165.4
[M-H]- 249.16084 164.1
[M+NH4]+ 268.20194 177.8
[M+K]+ 289.13128 163.9
[M+H-H2O]+ 233.16538 154.7
[M+HCOO]- 295.16632 183.0
[M+CH3COO]- 309.18197 198.9
[M+Na-2H]- 271.14279 164.9
[M]+ 250.16757 160.9
[M]- 250.16867 160.9
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe